CID 82390208

2567502-02-5

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1CN2C=C(C=C2CN1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H13ClN2/c14-12-3-1-10(2-4-12)11-7-13-8-15-5-6-16(13)9-11/h1-4,7,9,15H,5-6,8H2
InChIKey
OSTJWIOXMAVLQX-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.083996 151.3
[M+Na]+ 255.065938 159.9
[M-H]- 231.069444 154.3
[M+NH4]+ 250.110543 169.3
[M+K]+ 271.039878 153.1
[M+H-H2O]+ 215.073980 143.4
[M+HCOO]- 277.074921 164.9
[M+CH3COO]- 291.090571 162.8
[M+Na-2H]- 253.051386 155.5
[M]+ 232.07617142 148.6
[M]- 232.07726858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.